5-Chloro-5β-Cholestane

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Properties Simple | Detailed

Formula C27H47Cl
IUPAC Name (5r,8s,9s,10r,13r,14s,17r)-5-chloro-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
Molecular Mass 407.115 g·mol−1
Heat of Formation -504.3 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 554.72 Å 3
Surface Area 422.93 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,8s,9s,10r,13r,14s,17r)-5-chloro-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
  • (5r,8s,9s,10r,13r,14s,17r)-5-chloro-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene
  • 5-chlorocholestane
  • cholestane, 5-chloro-, (5beta)-
CAS Number(s)
  • 74098-16-1
InChIKey DFYRMYFDFYNXBS-QRDISTMWSA-N
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Elements H C Cl